![]() |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy |
Cation | Neutral | Difference | Vertical | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -5145.0092123 | -5145.3990653 | 0.3898530 | 0.0000000 | 5145.3990653 | ||||||
cm-1 | 190.0 | 166.0 | 24.0 | ||||||||
eV | -140002.821 | 0.024 | -140002.797 | -140013.429 | 0.021 | -140013.408 | 10.608 | 0.003 | 10.611 | 0.000 | 140013.429 |